5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one

C17H17NO — CID 122662664

IUPAC5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
SMILESCCc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17NO/c1-3-12-6-4-5-11(2)17(12)13-7-8-15-14(9-13)10-16(19)18-15/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyDXEYLJQGGSZUMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.72
Rot. Bonds2

About 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one

5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one (PubChem CID 122662664) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
PubChem CID122662664
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
SMILESCCc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17NO/c1-3-12-6-4-5-11(2)17(12)13-7-8-15-14(9-13)10-16(19)18-15/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyDXEYLJQGGSZUMA-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
CID 122655444
2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
CID 122655705
2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655715
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one
CID 162045284
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
CID 146227564
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
CID 116831905
5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
CID 122655598
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-butyl-1,3-dihydroindol-2-one
CID 10219749

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one (CID 122662664) is 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one is CCc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is DXEYLJQGGSZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-12-6-4-5-11(2)17(12)13-7-8-15-14(9-13)10-16(19)18-15/h4-9H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one?
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 122662664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).